Chemical ID: 4807646

CN(C)CCCNc1nc2c(c3c(s2)CCC3)c4n1ncn4
Chemical ID:
4807646
Name [?]:
None
SMILES [?]:
CN(C)CCCNc1nc2c(c3c(s2)CCC3)c4n1ncn4
InChi [?]:
InChI=1/C15H20N6S/c1-20(2)8-4-7-16-15-19-14-12(13-17-9-18-21(13)15)10-5-3-6-11(10)22-14/h9H,3-8H2,1-2H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,5,17,15,6,4,21,12,13,11,18,10,8,7,22,20,9,2,19,14/E:(1,2)/rA:22nCNCCCCNCNCCCCSCCCCNNCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;d12;s10s13;s13;s15;s12s16;s11;s8s18;s19;d20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N6S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9495
Area:524.313
Solvation:-2.15832
Coulombic:-34.58
Bond Count [?]
All:25
Single:20
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.426
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.46
LogP (Chemaxon):2.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue